0 B12R1.256 C=C(C)[C@@H]1CC=C(CC1)C(=O)C 1458a_200016138351_200000210301 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.256 C=C(C)[C@@H]1CC=C(CC1)C(=O)[13CH3] 1458a_200016138351_200025704644 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.256 CC(=O)C1CCN(CC1)C(=O)C 1458a_100000194564_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.256 CC(=O)C1CCN(CC1)C(=O)N 1458a_100000199043_200000210301 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.256 CC(=O)N1CCC(CC1)C(=O)[13CH3] 1458a_100000194564_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.256 [13CH3]C(=O)C1CCN(CC1)C(=O)N 1458a_100000199043_200025704644 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.3 CN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200000210301 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.3 [13CH3]N[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200025704644 [1,0,0,0,0,0|1,0,2]=4 8 B13R1.537 C=C(C)[C@@H]1CC=C(CC1)C(=O)CC 1458a_200016138351_100000210202 [0,1,0,0,0,0|1,0,0]=2 9 B13R1.537 C=C(C)[C@@H]1CC=C(CC1)C(=O)CF 1458a_200016138351_100015361967 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.537 C=C(C)[C@@H]1CC=C(CC1)C(=O)NC 11a_106832991635_200016138351 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.537 C=C(C)[C@@H]1CC=C(CC1)C(=O)NC 1626a_100102657272_200016138351 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.537 C=C(C)[C@@H]1CC=C(CC1)C(=O)NC 240690a_100102657272_200016138351 [0,1,0,0,0,0|1,0,0]=2 13 B13R1.537 COC(=O)C1=CCN(CC1)C(=O)C 11a_100020587139_100015343762 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.537 COC(=O)C1=CCN(CC1)C(=O)C 1626a_100020587139_100015343762 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.537 COC(=O)C1=CCN(CC1)C(=O)C 240690a_100020587139_100015343762 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.537 COC(=O)C1=CCN(CC1)C(=O)C 527a_100020587139_100103153847 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.537 COC(=O)C1=CCN(CC1)C(C)C 2230a_100020587139_100000210206 [0,1,0,0,0,0|1,0,2]=4 18 B13R1.537 COC(=O)C1=CCN(CC1)C(C)C 269982a_100020587139_100000210206 [0,1,0,0,0,0|1,0,2]=4 19 B13R1.537 COC(=O)N1CCC(CC1)C(=O)C 1458a_100000236020_200000210301 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.537 COC(=O)N1CCC(CC1)C(=O)[13CH3] 1458a_100000236020_200025704644 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.537 COC(=O)[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100009820674_200000210301 [0,1,0,0,0,0|1,0,2]=4 22 B13R1.537 COC(=O)[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009820674_200025704644 [0,1,0,0,0,0|1,0,2]=4 23 B11R0.273 C=C(C)CCNC(CC)C(=O)N 2230a_100000733705_100000730704 [0,0,1,0,0,0|2,0,1]=4 24 B11R0.273 C=C(C)CCNC(CC)C(=O)N 34a_100000733705_100000730704 [0,0,1,0,0,0|2,0,1]=4 25 B11R0.273 C=C(C)CCNC(CO)C(=O)O 269956a_100000187304_100000730704 [0,0,1,0,0,0|2,0,1]=4 26 B11R0.273 C=C(C)CCN[C@H](CC)C(=O)O 269956a_100000747097_100000730704 [0,0,1,0,0,0|1,0,1]=3 27 B11R0.273 C=C(C)CCOC(CC)C(=O)N 34a_100000764851_100000750255 [0,0,1,0,0,0|2,0,1]=4 28 B11R0.273 C=C(C)CCSC(CC)C(=O)N 62a_100000730704_100000750255 [0,0,1,0,0,0|2,0,1]=4 29 B11R0.273 C=C(C)CCSC(CC)C(=O)N 62a_100000750255_100000730704 [0,0,1,0,0,0|2,0,1]=4 30 B11R0.273 C=C[C@H](NCCC(=C)C)C(=O)O 269956a_100016992060_100000730704 [0,0,1,0,0,0|1,0,2]=4 31 B11R0.273 CC[C@@H](NCCC(=O)C)C(=O)O 269956a_100000747097_100000053229 [0,0,1,0,0,0|2,0,1]=4 32 B13R2.13764 CC(=O)C1=CCC2CC1C2(C)C 1458a_100009834949_200000210301 [0,0,0,1,0,0|1,0,2]=4 33 B13R2.13764 CC1(C2CC=C(C1C2)C(=O)[13CH3])C 1458a_100009834949_200025704644 [0,0,0,1,0,0|1,0,2]=4 34 B13R1.585 C=C(C)CN1CCC(CC1)C(=O)O 269956a_100000210459_100000748629 [0,0,0,0,0,1|1,0,2]=4 35 B13R1.585 C=C(C)[C@@H]1CC=C(CC1)CN(C)C 270004a_100102631434_100015429263 [0,0,0,0,0,1|3,0,0]=4 36 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [1,0,1,0,0,0|1,0,1]=4 37 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [1,0,1,0,0,0|1,0,1]=4 38 B10R0.86 C=CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000754431 [1,0,1,0,0,0|1,0,1]=4 39 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [2,0,0,0,0,0|2,0,0]=4 45 B12R0.236 C=C(COC(C)C(=O)C)C(=O)OC 34a_100000212229_100009813391 [0,1,1,0,0,0|2,0,0]=4 46 B12R0.236 C=C(CSC(C)C(=O)C)C(=O)OC 62a_100009813391_100009814033 [0,1,1,0,0,0|2,0,0]=4 47 B12R0.236 C=C(CSC(C)C(=O)C)C(=O)OC 62a_100009814033_100009813391 [0,1,1,0,0,0|2,0,0]=4 48 B12R0.136 C=C(C)CCNC(C(=O)O)C(C)O 269956a_100000185852_100000730704 [0,1,1,0,0,0|1,0,1]=4 49 B12R0.136 C=C(C)CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000730704 [0,1,1,0,0,0|1,0,1]=4 50 B12R0.188 C=C(C)CCOC(CC)C(=O)OC 34a_100000695916_100000730704 [0,1,1,0,0,0|1,0,1]=4 51 B12R0.188 C=C(C)CCOC(CC)C(=O)OC 34a_100000764851_100000235869 [0,1,1,0,0,0|1,0,1]=4 52 B12R0.188 C=C(C)CCOC(CC)C(=O)OC 7a_100000695916_100000730704 [0,1,1,0,0,0|1,0,1]=4 53 B12R0.188 C=C(C)CCSC(CC)C(=O)OC 62a_100000235869_100000730704 [0,1,1,0,0,0|1,0,1]=4 54 B12R0.188 C=C(C)CCSC(CC)C(=O)OC 62a_100000730704_100000235869 [0,1,1,0,0,0|1,0,1]=4 55 B12R0.397 C=C(C)CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000730704 [0,1,1,0,0,0|1,0,1]=4 56 B12R0.397 C=C(C)CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000730704 [0,1,1,0,0,0|1,0,1]=4 57 B12R0.397 C=C(C)CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000730704 [0,1,1,0,0,0|1,0,1]=4 58 B12R0.397 C=C(C)CCN[C@H](COC)C(=O)O 269956a_100011998655_100000730704 [0,1,1,0,0,0|1,0,1]=4 59 B12R0.583 C=C(C)CCC(=O)C(CC)C(=O)N 1458a_200000688413_100000750255 [0,1,1,0,0,0|1,0,1]=4 60 B12R0.763 C=C(C)CCNC(C)(CC)C(=O)O 269956a_100025756313_100000730704 [0,1,1,0,0,0|1,0,1]=4 61 B12R1.5 CCN1CC=C(CC1)C(=O)OC 2230a_100020587139_100000210202 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.5 CCN1CC=C(CC1)C(=O)OC 269982a_100020587139_100000204670 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.113 C=C(C)[C@@H]1CC=C(CC1)CNC 269862a_106832991636_100015429263 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.113 C=C(C)[C@@H]1CC=C(CC1)CNC 270004a_106832991635_100015429263 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.113 C=C(C)[C@@H]1CC=C(CC1)COC 34a_100015330809_200000210301 [1,1,0,0,0,0|0,0,1]=3 66 B12R1.113 C=C(C)[C@@H]1CC=C(CC1)COC 7a_100015330809_200000210301 [1,1,0,0,0,0|0,0,1]=3 67 B12R1.113 C=C(C)[C@@H]1CC=C(CC1)CO[13CH3] 34a_100015330809_200025704644 [1,1,0,0,0,0|0,0,1]=3 68 B12R1.113 C=C(C)[C@@H]1CC=C(CC1)CO[13CH3] 7a_100015330809_200025704644 [1,1,0,0,0,0|0,0,1]=3 69 B12R1.359 COC(=O)C1CCC(C1)C(=O)C 1458a_100000684823_200000210301 [0,1,0,0,1,0|1,0,1]=4 70 B12R1.359 COC(=O)C1CCC(C1)C(=O)[13CH3] 1458a_100000684823_200025704644 [0,1,0,0,1,0|1,0,1]=4 71 B14R1.717 C=C(C)CN1CC=C(CC1)C(=O)OC 2230a_100020587139_100000748629 [0,1,0,0,0,1|1,0,0]=3 72 B14R1.717 C=C(C)CN1CC=C(CC1)C(=O)OC 269982a_100020587139_100000748629 [0,1,0,0,0,1|1,0,0]=3 73 B14R1.717 C=C(F)CN1CC=C(CC1)C(=O)OC 2230a_100020587139_100009893438 [0,1,0,0,0,1|2,0,0]=4 74 B14R1.717 C=C(F)CN1CC=C(CC1)C(=O)OC 269982a_100020587139_100009893438 [0,1,0,0,0,1|2,0,0]=4 75 B14R1.610 C#CCC(=O)C1=CC[C@H](CC1)C(=C)C 1458a_200016138351_100000184674 [0,2,0,0,0,0|1,0,0]=3 76 B14R1.610 C=C(C)[C@@H]1CC=C(CC1)C(=O)CC#N 1458a_200016138351_100011214920 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.610 C=C(C)[C@@H]1CC=C(CC1)C(=O)CCC 1458a_200016138351_100000210303 [0,2,0,0,0,0|1,0,0]=3 78 B14R1.610 C=C(C)[C@@H]1CC=C(CC1)C(=O)CCF 1458a_200016138351_100011217306 [0,2,0,0,0,0|1,0,0]=3 79 B14R1.610 C=C(C)[C@@H]1CC=C(CC1)C(=O)CCO 1458a_200016138351_100000211926 [0,2,0,0,0,0|0,0,0]=2 80 B14R1.610 C=C(C)[C@@H]1CC=C(CC1)C(=O)NCC 11a_100015525214_200016138351 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.610 C=C(C)[C@@H]1CC=C(CC1)C(=O)NCC 240690a_100015525214_200016138351 [0,2,0,0,0,0|1,0,0]=3 82 B14R1.610 C=C(C)[C@@H]1CC=C(CC1)C(=O)NNC 22a_100016993582_200016138351 [0,2,0,0,0,0|1,0,0]=3 83 B14R1.610 C=CCC(=O)C1=CC[C@H](CC1)C(=C)C 1458a_200016138351_100000210623 [0,2,0,0,0,0|1,0,0]=3 84 B14R1.718 C=CC(=O)N1CC=C(CC1)C(=O)OC 1626a_100020587139_100000185746 [0,2,0,0,0,0|2,0,0]=4 85 B14R1.718 C=CC(=O)N1CC=C(CC1)C(=O)OC 240690a_100020587139_200121576911 [0,2,0,0,0,0|2,0,0]=4 86 B14R1.718 C=CC(C)N1CC=C(CC1)C(=O)OC 269982a_100020587139_100011215867 [0,2,0,0,0,0|1,0,1]=4 87 B14R1.718 CCC(=O)N1CC=C(CC1)C(=O)OC 11a_100020587139_100000210414 [0,2,0,0,0,0|2,0,0]=4 88 B14R1.718 CCC(=O)N1CC=C(CC1)C(=O)OC 1626a_100020587139_100000210414 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.718 CCC(=O)N1CC=C(CC1)C(=O)OC 240690a_100020587139_100000210414 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.718 CCC(=O)N1CC=C(CC1)C(=O)OC 527a_100020587139_100000210414 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.718 CNC(=O)N1CC=C(CC1)C(=O)OC 2708a_100102657272_100020587139 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.718 COC(=O)C1=CCN(CC1)C(=O)CO 240690a_100020587139_100000210174 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.718 COC(=O)C1=CCN(CC1)C(=O)CO 527a_100020587139_100000210174 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.130 C=C(C)CCOC1CCOC1=O 34a_100000764851_100000211211 [0,0,1,1,0,0|1,0,1]=4 95 B12R1.130 C=C(C)CCSC1CCOC1=O 62a_100000211211_100000730704 [0,0,1,1,0,0|1,0,1]=4 96 B12R1.130 C=C(C)CCSC1CCOC1=O 62a_100000730704_100000211211 [0,0,1,1,0,0|1,0,1]=4 97 B12R1.130 C=C(C)COCC1=CCCC1=O 34a_100000087531_100000748629 [0,0,1,1,0,0|2,0,0]=4 98 B12R1.1804 C=C(C)CCN1CCC1C(=O)O 269956a_100000021838_100000730704 [0,0,1,1,0,0|1,0,1]=4 99 B12R1.3582 C=C(C)CCNC1(CC1)C(=O)O 269956a_100000746478_100000730704 [0,0,1,1,0,0|1,0,1]=4 100 B10R0.84 C=C(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748629 [0,0,1,0,1,0|1,0,1]=4 101 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [1,0,0,0,1,0|1,0,1]=4 102 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [1,0,0,0,1,0|1,0,1]=4 103 B12R0.535 C=C(C)CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000730704 [0,0,1,0,0,1|1,0,1]=4 104 B14R1.419 C=C(C)CN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100000748629 [0,0,0,0,0,2|0,0,2]=4